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Diagonal flipping of a rhombus consisting of two triangles sharing a commonedge with atoms (ions) in vertices of the triangles is considered as anelementary act of the polymorphic transformation in metals. The estimation ofthe energy threshold for the diagonal flipping has been carried out for variouscombination of rhombus vertices occupation by Fe, Cr, and Mn atoms. The energythreshold has been calculated in the framework of Morse interatomic pairpotential. Numerical coefficients for the approximation of the pair potentialfunction have been scaled by experimental values of the sublimation energy andtemperature dependencies of elastic constants for Fe, Cr, Mn. Values of theenergy threshold at 1193 K were estimated equal to 195, 150 and 94 kJ/mole forpure Cr, Fe and Mn respectively, i.e. in the same sequence as values of elasticbulk modulus for these metals. The substitution of one Fe atom by Cr or Mn atomresults in alteration of the energy threshold. This alteration is dependent onthe angle type at this vertex (an acute or obtuse angle), as well as on theratio of bulk modulus values of iron and alloying element.

Diagonal flipping of a Rhombus as elementary act of a polymorphic transformation. Calculation of energy threshold for the transformation in metals